Information card for entry 7153505

Structure parameters

• Common name: Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4- dihydropyridine‒3,5-dicarboxylate
• Chemical name: Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- -3,5-dicarboxylate
• Formula: C19 H23 N O6
• Calculated formula: C19 H23 N O6
• Title of publication: Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.
• Authors of publication: Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 5339 - 5344
• a: 9.323 ± 0.001 Å
• b: 14.554 ± 0.004 Å
• c: 27.618 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3747.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No